4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide

C14H18N2O2S — CID 2767993

IUPAC4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C14H18N2O2S/c17-19(18)9-7-16(8-10-19)6-5-12-11-15-14-4-2-1-3-13(12)14/h1-4,11,15H,5-10H2
InChIKeyOPGCJTQZZJHDLO-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.44
Rot. Bonds3

About 4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide

4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 2767993) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID2767993
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C14H18N2O2S/c17-19(18)9-7-16(8-10-19)6-5-12-11-15-14-4-2-1-3-13(12)14/h1-4,11,15H,5-10H2
InChIKeyOPGCJTQZZJHDLO-UHFFFAOYSA-N
XLogP1.44
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872329
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
(6S)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 129402017
4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide
CID 110608436
tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate
CID 50999126
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide (CID 2767993) is 4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is OPGCJTQZZJHDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-19(18)9-7-16(8-10-19)6-5-12-11-15-14-4-2-1-3-13(12)14/h1-4,11,15H,5-10H2.
What are the key properties of 4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 278.38 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 2767993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).